-
Name
3,4,5-Trifluoroiodobenzene
- EINECS
- CAS No. 170112-66-0
- Article Data6
- CAS DataBase
- Density 2.078 g/cm3
- Solubility
- Melting Point
- Formula C6H2F3I
- Boiling Point 176.4 °C at 760 mmHg
- Molecular Weight 257.982
- Flash Point 65.1 °C
- Transport Information
- Appearance
- Safety 26-36
- Risk Codes 36/37/38
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms Benzene, 1,2,3-trifluoro-5-iodo-;
- PSA 0.00000
- LogP 2.70850
3,4,5-Trifluoroiodobenzene Specification
The 3,4,5-Trifluoroiodobenzene, with the CAS registry number of 170112-66-0, is also known as Benzene, 1,2,3-trifluoro-5-iodo-. This chemical's molecular formula is C6H2F3I and molecular weight is 257.98. What's more, its systematic name is 1,2,3-trifluoro-5-iodobenzene.
Physical properties about the 3,4,5-Trifluoroiodobenzene are: (1)ACD/LogP: 3.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.2; (4)ACD/LogD (pH 7.4): 3.2; (5)ACD/BCF (pH 5.5): 160.26; (6)ACD/BCF (pH 7.4): 160.26; (7)ACD/KOC (pH 5.5): 1317.7; (8)ACD/KOC (pH 7.4): 1317.7; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 39.14 cm3; (15)Molar Volume: 124.1 cm3; (16)Surface Tension: 36 dyne/cm; (17)Density: 2.078 g/cm3; (18)Flash Point: 65.1 °C; (19)Enthalpy of Vaporization: 39.58 kJ/mol; (20)Boiling Point: 176.4 °C at 760 mmHg; (21)Vapour Pressure: 1.47 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. During using it, wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1) SMILES:Fc1c(F)cc(I)cc1F
(2) InChI:InChI=1/C6H2F3I/c7-4-1-3(10)2-5(8)6(4)9/h1-2H
(3) InChIKey:RLJXJUHMVYLIBW-UHFFFAOYAQ
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